SCHEMBL2404662

SCHEMBL2404662

Clc1ccc2nc(-c3ccccc3)cn2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 1.00
NPC1 O15118 5/20 1.00
ALDH1A1 P00352 8/20 0.79
ALDH1A3 P47895 7/20 0.79
ALDH1A2 O94788 1/20 0.69
APP P05067 1/20 0.65
KDM4E B2RXH2 6/20 0.65
HPGD P15428 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
TSHR P16473 2/20 0.65
HSD17B10 Q99714 2/20 0.65
TP53 P04637 1/20 0.65
PKM P14618 1/20 0.65
CDK5 Q00535 1/20 0.65
KMT2A Q03164 1/20 0.65
CDK5R1 Q15078 1/20 0.65
SLC2A1 P11166 1/20 0.61
PDE10A Q9Y233 1/20 0.56
MAPT P10636 3/20 0.55
LMNA P02545 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1691409 0.89 RAB9A (1.00) RAB9ANPC1ALDH1A1ALDH1A3ALDH1A2
SCHEMBL13325769 0.88 ALDH1A3 (1.00) RAB9ANPC1ALDH1A1ALDH1A3ALDH1A2
SCHEMBL16246713 0.88 ALDH1A3 (1.00) RAB9ANPC1ALDH1A1ALDH1A3ALDH1A2
SCHEMBL1664803 0.84 RAB9A (0.83) RAB9ANPC1ALDH1A1ALDH1A3APP
SCHEMBL13217820 0.83 RAB9A (0.81) RAB9ANPC1ALDH1A1ALDH1A3ALDH1A2
SCHEMBL13325716 0.83 RAB9A (0.81) RAB9ANPC1ALDH1A1ALDH1A3APP
SCHEMBL5775919 0.83 RAB9A (0.81) RAB9ANPC1ALDH1A1ALDH1A3ALDH1A2
SCHEMBL6483368 0.83 RAB9A (0.74) RAB9ANPC1ALDH1A1ALDH1A3ALDH1A2
SCHEMBL13325714 0.82 RAB9A (0.69) RAB9ANPC1ALDH1A1ALDH1A3ALDH1A2
SCHEMBL31683146 0.82 RAB9A (0.69) RAB9ANPC1ALDH1A1ALDH1A3ALDH1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118812530-A Method for preparing imidazole pyridine compound by catalyzing lignin and model compound by Pd/C bi-component system 中国科学院大连化学物理研究所 2024-10-22 CN claimed
CN-118812530-A Method for preparing imidazole pyridine compound by catalyzing lignin and model compound by Pd/C bi-component system 中国科学院大连化学物理研究所 2024-10-22 CN disclosed
CN-114892187-B Method for electrochemically synthesizing imidazole polycyclic aromatic compounds 南京工业大学 2023-08-22 CN disclosed
CN-114892187-A Method for electrochemically synthesizing imidazole polycyclic aromatic compounds 南京工业大学 2022-08-12 CN disclosed
CN-113735852-A Convenient Michal addition reaction of imidazole [1,2-a ] pyridine compounds 桂林理工大学 2021-12-03 CN disclosed
CN-110590774-B Trifluoromethyl imidazole condensed ring compound and preparation method thereof 河南中医药大学 2020-09-08 CN disclosed
CN-110590774-A Trifluoromethyl imidazole condensed ring compound and preparation method thereof 河南中医药大学 2019-12-20 CN disclosed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
US-7714319-B2 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2010-05-11 US disclosed
US-20070120111-A1 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2007-05-31 US disclosed
WO-2007008541-A2 CELLULAR CHOLESTEROL ABSORPTION MODIFIERS KALYPSYS, INC. (US) 2007-01-18 WO disclosed
US-20050260126-A1 Diagnostic probes and remedies for diseases with accumulation of prion protein, and stains for prion protein BF RESEARCH INSTITUTE (JP) 2005-11-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050260126-A1 Diagnostic probes and remedies for diseases with accumulation of prion protein, and stains for prion protein PRNP, PRPH, PCNP RAB9A 1787/4885NPC1 147/4885ALDH1A1 1577/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 RAB9A 2150/4885NPC1 1540/4885ALDH1A1 2292/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.